Recent developments in the ABINIT software package
| Main Author: | CPC, Mendeley |
|---|---|
| Other Authors: | Gonze, X., Jollet, F., Abreu Araujo, F., Adams, D., Amadon, B., Applencourt, T., Audouze, C., Beuken, J.-M., Bieder, J., Bokhanchuk, A., Bousquet, E., Bruneval, F., Caliste, D., Côté, M., Dahm, F., Da Pieve, F., Delaveau, M., Di Gennaro, M., Dorado, B., Espejo, C., Geneste, G., Genovese, L., Gerossier, A., Giantomassi, M., Gillet, Y., Hamann, D.R., He, L., Jomard, G., Laflamme Janssen, J., Le Roux, S., Levitt, A., Lherbier, A., Liu, F., Lukačević, I., Martin, A., Martins, C., Oliveira, M.J.T., Poncé, S., Pouillon, Y., Rangel, T., Rignanese, G.-M., Romero, A.H., Rousseau, B., Rubel, O., Shukri, A.A., Stankovski, M., Torrent, M., Van Setten, M.J., Van Troeye, B., Verstraete, M.J., Waroquiers, D., Wiktor, J., Xu, B., Zhou, A., Zwanziger, J.W. |
| Format: | Dataset |
| Terbitan: |
Mendeley
, 2016
|
| Subjects: | |
| Online Access: |
https:/data.mendeley.com/datasets/c99kt8mwj5 |
| ctrlnum |
0.17632-c99kt8mwj5.1 |
|---|---|
| fullrecord |
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<dc><creator>CPC, Mendeley</creator><title>Recent developments in the ABINIT software package </title><publisher>Mendeley</publisher><description>This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
Abstract
ABINIT is a package whose main program allows one to find the total energy, charge density, electronic structure and many other properties of systems made of electrons and nuclei, (molecules and periodic solids) within Density Functional Theory (DFT), Many-Body Perturbation Theory (GW approximation and Bethe–Salpeter equation) and Dynamical Mean Field Theory (DMFT). ABINIT also allows to optimize the geometry according to the DFT forces and stresses, to perform molecular dynamics simulations ...
Title of program: ABINIT
Catalogue Id: AEEU_v2_0
Nature of problem
This package has the purpose of computing accurately material and nanostructure properties: electronic structure, bond lengths, bond angles, primitive cell size, cohesive energy, dielectric properties, vibrational properties, elastic properties, optical properties, magnetic properties, non-linear couplings, electronic and vibrational life-times, and others.
Versions of this program held in the CPC repository in Mendeley Data
AEEU_v1_0; ABINIT; 10.1016/j.cpc.2009.07.007
AEEU_v2_0; ABINIT; 10.1016/j.cpc.2016.04.003
</description><subject>Surface Science</subject><subject>Condensed Matter Physics</subject><subject>Computational Physics</subject><contributor>Gonze, X.</contributor><contributor>Jollet, F.</contributor><contributor>Abreu Araujo, F.</contributor><contributor>Adams, D.</contributor><contributor>Amadon, B.</contributor><contributor>Applencourt, T.</contributor><contributor>Audouze, C.</contributor><contributor>Beuken, J.-M.</contributor><contributor>Bieder, J.</contributor><contributor>Bokhanchuk, A.</contributor><contributor>Bousquet, E.</contributor><contributor>Bruneval, F.</contributor><contributor>Caliste, D.</contributor><contributor>Côté, M.</contributor><contributor>Dahm, F.</contributor><contributor>Da Pieve, F.</contributor><contributor>Delaveau, M.</contributor><contributor>Di Gennaro, M.</contributor><contributor>Dorado, B.</contributor><contributor>Espejo, C.</contributor><contributor>Geneste, G.</contributor><contributor>Genovese, L.</contributor><contributor>Gerossier, A.</contributor><contributor>Giantomassi, M.</contributor><contributor>Gillet, Y.</contributor><contributor>Hamann, D.R.</contributor><contributor>He, L.</contributor><contributor>Jomard, G.</contributor><contributor>Laflamme Janssen, J.</contributor><contributor>Le Roux, S.</contributor><contributor>Levitt, A.</contributor><contributor>Lherbier, A.</contributor><contributor>Liu, F.</contributor><contributor>Lukačević, I.</contributor><contributor>Martin, A.</contributor><contributor>Martins, C.</contributor><contributor>Oliveira, M.J.T.</contributor><contributor>Poncé, S.</contributor><contributor>Pouillon, Y.</contributor><contributor>Rangel, T.</contributor><contributor>Rignanese, G.-M.</contributor><contributor>Romero, A.H.</contributor><contributor>Rousseau, B.</contributor><contributor>Rubel, O.</contributor><contributor>Shukri, A.A.</contributor><contributor>Stankovski, M.</contributor><contributor>Torrent, M.</contributor><contributor>Van Setten, M.J.</contributor><contributor>Van Troeye, B.</contributor><contributor>Verstraete, M.J.</contributor><contributor>Waroquiers, D.</contributor><contributor>Wiktor, J.</contributor><contributor>Xu, B.</contributor><contributor>Zhou, A.</contributor><contributor>Zwanziger, J.W.</contributor><type>Other:Dataset</type><identifier>10.17632/c99kt8mwj5.1</identifier><rights>GNU Public License Version 3</rights><rights>http://www.gnu.org/licenses/gpl-3.0.en.html</rights><relation>https:/data.mendeley.com/datasets/c99kt8mwj5</relation><date>2016-08-01T11:00:00Z</date><recordID>0.17632-c99kt8mwj5.1</recordID></dc>
|
| format |
Other:Dataset Other |
| author |
CPC, Mendeley |
| author2 |
Gonze, X. Jollet, F. Abreu Araujo, F. Adams, D. Amadon, B. Applencourt, T. Audouze, C. Beuken, J.-M. Bieder, J. Bokhanchuk, A. Bousquet, E. Bruneval, F. Caliste, D. Côté, M. Dahm, F. Da Pieve, F. Delaveau, M. Di Gennaro, M. Dorado, B. Espejo, C. Geneste, G. Genovese, L. Gerossier, A. Giantomassi, M. Gillet, Y. Hamann, D.R. He, L. Jomard, G. Laflamme Janssen, J. Le Roux, S. Levitt, A. Lherbier, A. Liu, F. Lukačević, I. Martin, A. Martins, C. Oliveira, M.J.T. Poncé, S. Pouillon, Y. Rangel, T. Rignanese, G.-M. Romero, A.H. Rousseau, B. Rubel, O. Shukri, A.A. Stankovski, M. Torrent, M. Van Setten, M.J. Van Troeye, B. Verstraete, M.J. Waroquiers, D. Wiktor, J. Xu, B. Zhou, A. Zwanziger, J.W. |
| title |
Recent developments in the ABINIT software package |
| publisher |
Mendeley |
| publishDate |
2016 |
| topic |
Surface Science Condensed Matter Physics Computational Physics |
| url |
https:/data.mendeley.com/datasets/c99kt8mwj5 |
| contents |
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
Abstract
ABINIT is a package whose main program allows one to find the total energy, charge density, electronic structure and many other properties of systems made of electrons and nuclei, (molecules and periodic solids) within Density Functional Theory (DFT), Many-Body Perturbation Theory (GW approximation and Bethe–Salpeter equation) and Dynamical Mean Field Theory (DMFT). ABINIT also allows to optimize the geometry according to the DFT forces and stresses, to perform molecular dynamics simulations ...
Title of program: ABINIT
Catalogue Id: AEEU_v2_0
Nature of problem
This package has the purpose of computing accurately material and nanostructure properties: electronic structure, bond lengths, bond angles, primitive cell size, cohesive energy, dielectric properties, vibrational properties, elastic properties, optical properties, magnetic properties, non-linear couplings, electronic and vibrational life-times, and others.
Versions of this program held in the CPC repository in Mendeley Data
AEEU_v1_0; ABINIT; 10.1016/j.cpc.2009.07.007
AEEU_v2_0; ABINIT; 10.1016/j.cpc.2016.04.003
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IOS7969.0.17632-c99kt8mwj5.1 |
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Universitas Islam Indragiri |
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onesearch.perpusnas.go.id |
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804 |
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library:university library |
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Teknologi Pangan UNISI |
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2816 |
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Artikel mulono |
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7969 |
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INDRAGIRI HILIR |
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RIAU |
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1 |
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IOS7969 |
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2020-04-08T08:31:44Z |
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2020-04-08T08:31:44Z |
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dc |
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1686587763541934080 |
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17.538404 |